Ethyl 5-Methyl-4-imidazolecarboxylate - CAS 51605-32-4

Catalog:	BB027512
Product Name:	Ethyl 5-Methyl-4-imidazolecarboxylate
CAS:	51605-32-4
Synonyms:	5-methyl-1H-imidazole-4-carboxylic acid ethyl ester; ethyl 5-methyl-1H-imidazole-4-carboxylate

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Computed Properties

IUPAC Name:	ethyl 5-methyl-1H-imidazole-4-carboxylate
Description:	Ethyl 5-Methyl-4-imidazolecarboxylate (CAS# 51605-32-4) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCOC(=O)C1=C(NC=N1)C
InChI:	InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)
InChI Key:	VLDUBDZWWNLZCU-UHFFFAOYSA-N
Boiling Point:	323.7 °C at 760 mmHg
Density:	1.171 g/cm³
Appearance:	Off-white or yellow crystalline powder
MDL:	MFCD00005199
LogP:	0.89480

Publication Number	Title	Priority Date
WO-2021110574-A1	Alkynyl-(heteroaryl)-carboxamide hcn1 inhibitors	20191202
WO-2021106230-A1	Novel phenol compound or salt thereof	20191129
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
US-2020164024-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127
WO-2020110008-A1	Cyclic pentamer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorder	20181127

PMID	Publication Date	Title	Journal
20541294	20100901	Synthesis and evaluation of anti-Toxoplasma gondii and antimicrobial activities of thiosemicarbazides, 4-thiazolidinones and 1,3,4-thiadiazoles	European journal of medicinal chemistry
16002145	20050801	Crystal structure, solid state and solution characterisation of copper(II) coordination compounds of ethyl 5-methyl-4-imidazolecarboxylate (emizco)	Journal of inorganic biochemistry
18365092	20050101	Cobalt(II) coordination compounds of ethyl 4-methyl-5-imidazolecarboxylate: chemical and biochemical characterization on photosynthesis and seed germination	Bioinorganic chemistry and applications
2989521	19850601	Synthesis and antiviral evaluation of nucleosides of 5-methylimidazole-4-carboxamide	Journal of medicinal chemistry

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[956439-56-8]
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[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
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1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1